Detailed information for compound 1189984

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 517.273 | Formula: C19H12BrF3N2O5S
  • H donors: 1 H acceptors: 5 LogP: 4.59 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 2
  • SMILES: Brc1ccc(c(c1)F)CN(S(=O)(=O)c1ccc(cc1)[N+](=O)[O-])c1cc(F)c(c(c1)F)O
  • InChi: 1S/C19H12BrF3N2O5S/c20-12-2-1-11(16(21)7-12)10-24(14-8-17(22)19(26)18(23)9-14)31(29,30)15-5-3-13(4-6-15)25(27)28/h1-9,26H,10H2
  • InChiKey: SHLRXFQXPWFZSW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Aldehyde reductase Starlite/ChEMBL References
Rattus norvegicus Aldose reductase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis aldo keto reductase family 1, member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania mexicana prostaglandin f2-alpha synthase Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus aldo keto reductase family 1 member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Schistosoma mansoni pol-related Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase family 1, member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo/keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Loa Loa (eye worm) oxidoreductase Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania mexicana prostaglandin f synthase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania major aldo-keto reductase-like protein Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo/keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Candida albicans similar to mammalian aldo/keto reductases Get druggable targets OG5_126583 All targets in OG5_126583
Neospora caninum Oxidoreductase, aldo/keto reductase family, related Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase family 1, member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Entamoeba histolytica aldose reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania infantum aldehyde reductase, putative,oxidoreductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania braziliensis prostaglandin f2-alpha synthase/D-arabinose dehydrogenase Get druggable targets OG5_126583 All targets in OG5_126583
Schistosoma mansoni aldo-keto reductase Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Schistosoma japonicum ko:K00011 aldehyde reductase [EC1.1.1.21], putative Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania donovani prostaglandin f2-alpha synthase Get druggable targets OG5_126583 All targets in OG5_126583
Trypanosoma brucei gambiense aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Candida albicans see also nonallelic CaP19.2244 Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus aldo keto reductase Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Entamoeba histolytica aldose reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase family 1, member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania major prostaglandin f synthase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus aldo keto reductase family 1 member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Brugia malayi oxidoreductase, aldo/keto reductase family protein Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania mexicana aldehyde reductase, putative,oxidoreductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus aldo keto reductase Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus hypothetical protein Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase family 1, member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Loa Loa (eye worm) oxidoreductase Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania braziliensis prostaglandin f synthase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Loa Loa (eye worm) oxidoreductase Get druggable targets OG5_126583 All targets in OG5_126583
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase family 1, member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase family 1, member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Candida albicans similar to mammalian aldo/keto reductases Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus aldehyde reductase Get druggable targets OG5_126583 All targets in OG5_126583
Onchocerca volvulus Get druggable targets OG5_126583 All targets in OG5_126583
Trypanosoma congolense aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Toxoplasma gondii aldose reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Onchocerca volvulus Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase family 1, member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Onchocerca volvulus Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania major aldehyde reductase, putative,oxidoreductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase family 1, member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis dihydrodiol dehydrogenase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Candida albicans similar to mammalian aldo/keto reductases Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase Get druggable targets OG5_126583 All targets in OG5_126583
Trypanosoma congolense prostaglandin f synthase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Schistosoma mansoni aldo-keto reductase Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus aldo keto reductase family 1 member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis dihydrodiol dehydrogenase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus aldo keto reductase family 1 member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania mexicana aldo-keto reductase-like protein Get druggable targets OG5_126583 All targets in OG5_126583
Giardia lamblia Aldose reductase Get druggable targets OG5_126583 All targets in OG5_126583
Trypanosoma brucei prostaglandin f synthase Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo/keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus aldo keto reductase family 1 member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Trypanosoma cruzi aldo-keto reductase Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis dihydrodiol dehydrogenase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus aldo keto reductase family 1 member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus aldo keto reductase family 1 member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Trypanosoma brucei aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania infantum aldo-keto reductase-like protein Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania donovani prostaglandin f synthase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania infantum prostaglandin f synthase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania donovani aldo-keto reductase-like protein Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania infantum prostaglandin f2-alpha synthase/D-arabinose dehydrogenase Get druggable targets OG5_126583 All targets in OG5_126583
Schistosoma japonicum IPR001395,Aldo/keto reductase,domain-containing Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus aldo keto reductase family 1 member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Trypanosoma cruzi aldo/keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Onchocerca volvulus Get druggable targets OG5_126583 All targets in OG5_126583
Entamoeba histolytica aldose reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Onchocerca volvulus Get druggable targets OG5_126583 All targets in OG5_126583
Candida albicans Aldose reductase Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus aldo keto reductase family 1 member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldehyde reductase Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Trypanosoma brucei gambiense prostaglandin f synthase. putative Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Mycobacterium leprae PROBABLE OXIDOREDUCTASE Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase family 1, member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Brugia malayi oxidoreductase, aldo/keto reductase family protein Get druggable targets OG5_126583 All targets in OG5_126583
Loa Loa (eye worm) oxidoreductase Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania braziliensis aldehyde reductase, putative,oxidoreductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Giardia lamblia Aldose reductase Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus aldo keto reductase Get druggable targets OG5_126583 All targets in OG5_126583
Candida albicans see also nonallelic CaP19.2244 Get druggable targets OG5_126583 All targets in OG5_126583
Brugia malayi oxidoreductase, aldo/keto reductase family protein Get druggable targets OG5_126583 All targets in OG5_126583
Onchocerca volvulus Get druggable targets OG5_126583 All targets in OG5_126583
Mycobacterium tuberculosis Probable oxidoreductase Get druggable targets OG5_126583 All targets in OG5_126583
Candida albicans similar to mammalian aldo/keto reductases Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania donovani aldehyde reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase family 1, member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Candida albicans Aldose reductase Get druggable targets OG5_126583 All targets in OG5_126583
Mycobacterium ulcerans oxidoreductase Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania braziliensis aldo-keto reductase-like protein Get druggable targets OG5_126583 All targets in OG5_126583
Loa Loa (eye worm) oxidoreductase Get druggable targets OG5_126583 All targets in OG5_126583
Brugia malayi oxidoreductase, aldo/keto reductase family protein Get druggable targets OG5_126583 All targets in OG5_126583
Mycobacterium leprae Conserved hypothetical protein Get druggable targets OG5_126583 All targets in OG5_126583
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Candida albicans D-arabinose dehydrogenase, NADP-dependent Aldehyde reductase   325 aa 294 aa 34.0 %
Mycobacterium ulcerans hypothetical protein Aldose reductase   316 aa 334 aa 24.3 %
Candida albicans D-arabinose dehydrogenase, NADP-dependent Aldehyde reductase   325 aa 294 aa 34.0 %
Candida albicans putative aryl alcohol dehydrogenase Aldehyde reductase   325 aa 345 aa 20.3 %
Candida albicans see also nonallelic CaP19.6816 Aldose reductase   316 aa 281 aa 29.2 %
Onchocerca volvulus Aldehyde reductase   325 aa 332 aa 42.5 %
Candida albicans putative aryl alcohol dehydrogenase Aldehyde reductase   325 aa 331 aa 19.9 %
Toxoplasma gondii aldo/keto reductase family oxidoreductase Aldehyde reductase   325 aa 300 aa 24.3 %
Candida albicans aryl alcohol dehydrogenase Aldose reductase   316 aa 320 aa 19.4 %
Leishmania mexicana aldo/keto reductase, putative,aldo/keto reductase family-like protein Aldehyde reductase   325 aa 284 aa 25.4 %
Leishmania major aldo/keto reductase, putative,aldo/keto reductase family-like protein Aldehyde reductase   325 aa 272 aa 26.5 %
Leishmania braziliensis aldo/keto reductase, putative,aldo/keto reductase family-like protein Aldose reductase   316 aa 267 aa 27.3 %
Candida albicans aryl alcohol dehydrogenase Aldose reductase   316 aa 320 aa 19.4 %
Candida albicans aryl alcohol dehydrogenase Aldehyde reductase   325 aa 334 aa 19.8 %
Onchocerca volvulus Multiple coagulation factor deficiency protein 2 homolog Aldehyde reductase   325 aa 332 aa 44.6 %
Onchocerca volvulus Aldose reductase   316 aa 314 aa 37.3 %
Candida albicans similar to putative aryl alcohol dehydrogenase family Aldose reductase   316 aa 320 aa 19.7 %
Mycobacterium tuberculosis Conserved protein Aldose reductase   316 aa 335 aa 24.2 %
Neospora caninum aldo/keto reductase family oxidoreductase, putative Aldehyde reductase   325 aa 296 aa 20.3 %
Candida albicans aryl alcohol dehydrogenase Aldehyde reductase   325 aa 334 aa 19.8 %
Candida albicans see also nonallelic CaP19.6816 Aldose reductase   316 aa 281 aa 29.2 %
Trypanosoma cruzi aldo/keto reductase, putative Aldose reductase   316 aa 309 aa 26.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Entamoeba histolytica aldose reductase, putative 0.0077 0.2762 1
Toxoplasma gondii aldose reductase, putative 0.0077 0.2762 1
Trypanosoma cruzi aldo-keto reductase 0.0077 0.2762 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0058 0.1887 0.1887
Trichomonas vaginalis aldo-keto reductase, putative 0.0077 0.2762 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0077 0.2762 0.2762
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0077 0.2762 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0077 0.2762 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0077 0.2762 0.272
Schistosoma mansoni aldo-keto reductase 0.0077 0.2762 0.3216
Trichomonas vaginalis aldo-keto reductase, putative 0.0077 0.2762 1
Echinococcus granulosus lamin 0.0032 0.0684 0.063
Echinococcus granulosus hypothetical protein 0.0077 0.2762 0.272
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0077 0.2762 0.272
Brugia malayi Intermediate filament tail domain containing protein 0.0032 0.0684 0.0684
Trichomonas vaginalis aldo-keto reductase, putative 0.0077 0.2762 1
Echinococcus granulosus aldo keto reductase 0.0077 0.2762 0.272
Brugia malayi Latrophilin receptor protein 2 0.0018 0.0058 0.0058
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0077 0.2762 0.272
Trypanosoma cruzi aldo/keto reductase, putative 0.0077 0.2762 1
Echinococcus multilocularis lamin dm0 0.0032 0.0684 0.063
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0077 0.2762 0.272
Mycobacterium ulcerans oxidoreductase 0.0077 0.2762 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.1887 0.1887
Onchocerca volvulus 0.0077 0.2762 1
Echinococcus granulosus aldo keto reductase 0.0077 0.2762 0.272
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0077 0.2762 1
Loa Loa (eye worm) transcription factor SMAD2 0.0138 0.562 0.562
Echinococcus granulosus aldehyde reductase 0.0054 0.1734 0.1686
Onchocerca volvulus 0.0077 0.2762 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0077 0.2762 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0077 0.2762 0.272
Echinococcus granulosus intermediate filament protein 0.0032 0.0684 0.063
Loa Loa (eye worm) latrophilin receptor protein 2 0.0018 0.0058 0.0058
Brugia malayi latrophilin 2 splice variant baaae 0.0039 0.104 0.104
Plasmodium falciparum aldehyde reductase, putative 0.0022 0.0239 0.5
Giardia lamblia Aldose reductase 0.0077 0.2762 0.5
Loa Loa (eye worm) oxidoreductase 0.0077 0.2762 0.2762
Onchocerca volvulus 0.0032 0.0684 0.1762
Schistosoma mansoni hypothetical protein 0.0199 0.8468 1
Echinococcus multilocularis aldo keto reductase 0.0077 0.2762 0.272
Echinococcus multilocularis geminin 0.0199 0.8468 0.8459
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0077 0.2762 0.272
Echinococcus multilocularis voltage gated potassium channel subunit 0.0022 0.0239 0.0183
Plasmodium vivax aldehyde reductase, putative 0.0022 0.0239 0.5
Echinococcus granulosus aldo keto reductase family 1, member B4 0.0022 0.0239 0.0183
Brugia malayi MH2 domain containing protein 0.0138 0.562 0.562
Loa Loa (eye worm) hypothetical protein 0.0031 0.0657 0.0657
Echinococcus multilocularis aldo keto reductase 0.0077 0.2762 0.272
Loa Loa (eye worm) hypothetical protein 0.0232 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0077 0.2762 0.272
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0018 0.0058 0.0058
Trichomonas vaginalis aldo/keto reductase, putative 0.0077 0.2762 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0138 0.562 0.562
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0077 0.2762 0.272
Schistosoma mansoni pol-related 0.0077 0.2762 0.3216
Schistosoma mansoni hypothetical protein 0.0039 0.104 0.1168
Giardia lamblia Aldose reductase 0.0077 0.2762 0.5
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0077 0.2762 1
Schistosoma mansoni lamin 0.0032 0.0684 0.0745
Entamoeba histolytica aldose reductase, putative 0.0077 0.2762 1
Schistosoma mansoni lamin 0.0032 0.0684 0.0745
Trichomonas vaginalis aldo-keto reductase, putative 0.0077 0.2762 1
Schistosoma mansoni hypothetical protein 0.0047 0.1411 0.161
Echinococcus granulosus voltage gated potassium channel subunit 0.0022 0.0239 0.0183
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0077 0.2762 0.272
Echinococcus granulosus survival motor neuron protein 1 0.0232 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0077 0.2762 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0077 0.2762 0.272
Trichomonas vaginalis aldo-keto reductase, putative 0.0077 0.2762 1
Onchocerca volvulus 0.0077 0.2762 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0077 0.2762 0.272
Echinococcus granulosus geminin 0.0199 0.8468 0.8459
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0077 0.2762 1
Echinococcus multilocularis lamin 0.0032 0.0684 0.063
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0077 0.2762 0.272
Brugia malayi Calcitonin receptor-like protein seb-1 0.0058 0.1887 0.1887
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0077 0.2762 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0077 0.2762 1
Leishmania major aldo-keto reductase-like protein 0.0077 0.2762 1
Brugia malayi glutamate-cysteine ligase modifier subunit 0.0022 0.0239 0.0239
Echinococcus multilocularis aldehyde reductase 0.0054 0.1734 0.1686
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0058 0.1887 0.1887
Schistosoma mansoni aldo-keto reductase 0.0077 0.2762 0.3216
Echinococcus granulosus aldo keto reductase 0.0077 0.2762 0.272
Mycobacterium leprae Conserved hypothetical protein 0.0054 0.1734 0.5922
Trichomonas vaginalis aldo-keto reductase, putative 0.0077 0.2762 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0077 0.2762 1
Onchocerca volvulus 0.0077 0.2762 1
Echinococcus multilocularis aldo keto reductase 0.0077 0.2762 0.272
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0077 0.2762 0.272
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0077 0.2762 0.272
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0032 0.0684 0.0684
Plasmodium falciparum aldo-keto reductase, putative 0.0022 0.0239 0.5
Schistosoma mansoni intermediate filament proteins 0.0032 0.0684 0.0745
Loa Loa (eye worm) hypothetical protein 0.0077 0.2762 0.2762
Trypanosoma brucei prostaglandin f synthase 0.0077 0.2762 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0077 0.2762 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0077 0.2762 0.272
Mycobacterium tuberculosis Probable oxidoreductase 0.0077 0.2762 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0077 0.2762 0.272
Schistosoma mansoni hypothetical protein 0.0199 0.8468 1
Loa Loa (eye worm) intermediate filament protein 0.0032 0.0684 0.0684
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0077 0.2762 0.272
Leishmania major prostaglandin f synthase, putative 0.0077 0.2762 1
Onchocerca volvulus 0.0047 0.1411 0.4646
Echinococcus multilocularis aldo keto reductase 0.0077 0.2762 0.272
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0077 0.2762 0.2762
Echinococcus multilocularis musashi 0.0032 0.0684 0.063
Loa Loa (eye worm) oxidoreductase 0.0077 0.2762 0.2762
Entamoeba histolytica aldose reductase, putative 0.0077 0.2762 1
Brugia malayi NADH-dependent xylose reductase 0.0022 0.0239 0.0239
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0077 0.2762 0.272
Echinococcus multilocularis survival motor neuron protein 1 0.0232 1 1
Schistosoma mansoni potassium channel beta 0.0022 0.0239 0.0216
Loa Loa (eye worm) oxidoreductase 0.0077 0.2762 0.2762
Trichomonas vaginalis aldo/keto reductase, putative 0.0077 0.2762 1
Loa Loa (eye worm) oxidoreductase 0.0077 0.2762 0.2762
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0077 0.2762 0.2762
Trypanosoma brucei aldo-keto reductase, putative 0.0077 0.2762 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0077 0.2762 0.2762
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0077 0.2762 0.272
Onchocerca volvulus 0.0077 0.2762 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.104 0.104
Loa Loa (eye worm) glutamate-cysteine ligase modifier subunit 0.0022 0.0239 0.0239
Loa Loa (eye worm) hypothetical protein 0.0032 0.0684 0.0684
Echinococcus granulosus lamin dm0 0.0032 0.0684 0.063
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.1411 0.1411
Plasmodium vivax oxidoreductase, aldo/keto reductase domain containing protein 0.0022 0.0239 0.5
Trichomonas vaginalis aldo/keto reductase, putative 0.0077 0.2762 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0058 0.0058
Onchocerca volvulus 0.0077 0.2762 1
Schistosoma mansoni survival motor neuron protein 0.0047 0.1411 0.161
Onchocerca volvulus 0.0032 0.0684 0.1762
Trichomonas vaginalis aldo-keto reductase, putative 0.0077 0.2762 1
Brugia malayi intermediate filament protein 0.0032 0.0684 0.0684
Loa Loa (eye worm) oxidoreductase 0.0077 0.2762 0.2762
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0077 0.2762 0.272

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 9 uM Inhibition of Fischer-344 rat lens ALR2 by least-square analysis ChEMBL. 20936791
IC50 (binding) = 15.42 uM Inhibition of Fischer-344 rat kidney AK1A1 ChEMBL. 20936791
Inhibition (binding) = 69.78 % Inhibition of Fischer-344 rat kidney AK1A1 at 100 uM ChEMBL. 20936791
Inhibition (binding) = 75.1 % Inhibition of Fischer-344 rat lens ALR2 at 100 uM ChEMBL. 20936791

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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